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Found 42 hits Enz. Inhib. hit(s) with Target = 'Induced myeloid leukemia cell differentiation protein Mcl-1 homolog'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM238185
PNG
(US9394303, 57)
Show SMILES Cc1nn(Cc2ccc(Oc3cc(C)c(Cl)c(C)c3)cc2)c2nc(cc(C(O)=O)c12)-c1ccco1
Show InChI InChI=1S/C27H22ClN3O4/c1-15-11-20(12-16(2)25(15)28)35-19-8-6-18(7-9-19)14-31-26-24(17(3)30-31)21(27(32)33)13-22(29-26)23-5-4-10-34-23/h4-13H,14H2,1-3H3,(H,32,33)
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US Patent
130 -39.3 670n/an/an/an/a7.425



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Sensitive and quantitative FP-based binding assays were developed and optimized to determine the binding affinities of small-molecule inhibitors to t...


US Patent US9394303 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HCM
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM238190
PNG
(US9394303, 16)
Show SMILES Cc1nn(Cc2ccc(Oc3ccccc3)cc2)c2nc(\C=C\c3ccccc3)cc(C(O)=O)c12
Show InChI InChI=1S/C29H23N3O3/c1-20-27-26(29(33)34)18-23(15-12-21-8-4-2-5-9-21)30-28(27)32(31-20)19-22-13-16-25(17-14-22)35-24-10-6-3-7-11-24/h2-18H,19H2,1H3,(H,33,34)/b15-12+
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210 -38.1 1.11E+3n/an/an/an/a7.425



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Sensitive and quantitative FP-based binding assays were developed and optimized to determine the binding affinities of small-molecule inhibitors to t...


US Patent US9394303 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HCM
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM238186
PNG
(US9394303, 58)
Show SMILES Cc1nn(Cc2ccc(Oc3cccc4ccccc34)cc2)c2nc(cc(C(O)=O)c12)-c1ccco1
Show InChI InChI=1S/C29H21N3O4/c1-18-27-23(29(33)34)16-24(26-10-5-15-35-26)30-28(27)32(31-18)17-19-11-13-21(14-12-19)36-25-9-4-7-20-6-2-3-8-22(20)25/h2-16H,17H2,1H3,(H,33,34)
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250 -37.7 1.28E+3n/an/an/an/a7.425



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Sensitive and quantitative FP-based binding assays were developed and optimized to determine the binding affinities of small-molecule inhibitors to t...


US Patent US9394303 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HCM
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM238181
PNG
(US9394303, 8)
Show SMILES Cc1nn(Cc2ccc(Oc3ccccc3)cc2)c2nc(cc(C(O)=O)c12)-c1ccco1
Show InChI InChI=1S/C25H19N3O4/c1-16-23-20(25(29)30)14-21(22-8-5-13-31-22)26-24(23)28(27-16)15-17-9-11-19(12-10-17)32-18-6-3-2-4-7-18/h2-14H,15H2,1H3,(H,29,30)
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290 -37.3 1.52E+3n/an/an/an/a7.425



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Sensitive and quantitative FP-based binding assays were developed and optimized to determine the binding affinities of small-molecule inhibitors to t...


US Patent US9394303 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HCM
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM238192
PNG
(US9394303, 18)
Show SMILES Cc1nn(Cc2ccc(Oc3ccccc3)cc2)c2nc(CCc3ccccc3)cc(C(O)=O)c12
Show InChI InChI=1S/C29H25N3O3/c1-20-27-26(29(33)34)18-23(15-12-21-8-4-2-5-9-21)30-28(27)32(31-20)19-22-13-16-25(17-14-22)35-24-10-6-3-7-11-24/h2-11,13-14,16-18H,12,15,19H2,1H3,(H,33,34)
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490 -36.0 2.54E+3n/an/an/an/a7.425



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Sensitive and quantitative FP-based binding assays were developed and optimized to determine the binding affinities of small-molecule inhibitors to t...


US Patent US9394303 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HCM
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM238187
PNG
(US9394303, 59)
Show SMILES Cc1nn(-c2ccc(Oc3ccccc3)cc2)c2nc(cc(C(O)=O)c12)-c1ccco1
Show InChI InChI=1S/C24H17N3O4/c1-15-22-19(24(28)29)14-20(21-8-5-13-30-21)25-23(22)27(26-15)16-9-11-18(12-10-16)31-17-6-3-2-4-7-17/h2-14H,1H3,(H,28,29)
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820 -34.7 4.27E+3n/an/an/an/a7.425



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Sensitive and quantitative FP-based binding assays were developed and optimized to determine the binding affinities of small-molecule inhibitors to t...


US Patent US9394303 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HCM
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM238196
PNG
(US9394303, 62)
Show SMILES Cc1nn(Cc2ccc(Oc3ccc(F)cc3)cc2)c2nc(cc(C(O)=O)c12)-c1ccc(F)cc1
Show InChI InChI=1S/C27H19F2N3O3/c1-16-25-23(27(33)34)14-24(18-4-6-19(28)7-5-18)30-26(25)32(31-16)15-17-2-10-21(11-3-17)35-22-12-8-20(29)9-13-22/h2-14H,15H2,1H3,(H,33,34)
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880 -34.6 4.51E+3n/an/an/an/a7.425



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Sensitive and quantitative FP-based binding assays were developed and optimized to determine the binding affinities of small-molecule inhibitors to t...


US Patent US9394303 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HCM
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM238184
PNG
(US9394303, 56)
Show SMILES Cc1nn(Cc2ccc(Oc3ccc(F)cc3)cc2)c2nc(cc(C(O)=O)c12)-c1ccco1
Show InChI InChI=1S/C25H18FN3O4/c1-15-23-20(25(30)31)13-21(22-3-2-12-32-22)27-24(23)29(28-15)14-16-4-8-18(9-5-16)33-19-10-6-17(26)7-11-19/h2-13H,14H2,1H3,(H,30,31)
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900 -34.5 4.68E+3n/an/an/an/a7.425



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Sensitive and quantitative FP-based binding assays were developed and optimized to determine the binding affinities of small-molecule inhibitors to t...


US Patent US9394303 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HCM
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM238191
PNG
(US9394303, 17)
Show SMILES Cc1nn(Cc2ccc(Oc3ccccc3)cc2)c2nc(cc(C(O)=O)c12)C#Cc1ccccc1
Show InChI InChI=1S/C29H21N3O3/c1-20-27-26(29(33)34)18-23(15-12-21-8-4-2-5-9-21)30-28(27)32(31-20)19-22-13-16-25(17-14-22)35-24-10-6-3-7-11-24/h2-11,13-14,16-18H,19H2,1H3,(H,33,34)
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1.21E+3 -33.8 6.30E+3n/an/an/an/a7.425



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Sensitive and quantitative FP-based binding assays were developed and optimized to determine the binding affinities of small-molecule inhibitors to t...


US Patent US9394303 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HCM
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM238195
PNG
(US9394303, 61)
Show SMILES Cc1nn(Cc2ccc(Oc3ccccc3)cc2)c2nc(cc(C(O)=O)c12)-c1cccs1
Show InChI InChI=1S/C25H19N3O3S/c1-16-23-20(25(29)30)14-21(22-8-5-13-32-22)26-24(23)28(27-16)15-17-9-11-19(12-10-17)31-18-6-3-2-4-7-18/h2-14H,15H2,1H3,(H,29,30)
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1.30E+3 -33.6 6.76E+3n/an/an/an/a7.425



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Sensitive and quantitative FP-based binding assays were developed and optimized to determine the binding affinities of small-molecule inhibitors to t...


US Patent US9394303 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HCM
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM238180
PNG
(US9394303, 7)
Show SMILES Cc1nn(Cc2ccc(cc2)-c2ccccc2)c2nc(cc(C(O)=O)c12)-c1ccco1
Show InChI InChI=1S/C25H19N3O3/c1-16-23-20(25(29)30)14-21(22-8-5-13-31-22)26-24(23)28(27-16)15-17-9-11-19(12-10-17)18-6-3-2-4-7-18/h2-14H,15H2,1H3,(H,29,30)
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1.40E+3 -33.4 7.30E+3n/an/an/an/a7.425



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Sensitive and quantitative FP-based binding assays were developed and optimized to determine the binding affinities of small-molecule inhibitors to t...


US Patent US9394303 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HCM
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM238182
PNG
(US9394303, 9)
Show SMILES Cc1nn(Cc2cccc(Oc3ccccc3)c2)c2nc(cc(C(O)=O)c12)-c1ccco1
Show InChI InChI=1S/C25H19N3O4/c1-16-23-20(25(29)30)14-21(22-11-6-12-31-22)26-24(23)28(27-16)15-17-7-5-10-19(13-17)32-18-8-3-2-4-9-18/h2-14H,15H2,1H3,(H,29,30)
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1.40E+3 -33.4 7.30E+3n/an/an/an/a7.425



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Sensitive and quantitative FP-based binding assays were developed and optimized to determine the binding affinities of small-molecule inhibitors to t...


US Patent US9394303 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HCM
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM238194
PNG
(US9394303, 60)
Show SMILES Cc1nn(Cc2ccc(Oc3ccccc3)cc2)c2nc(cc(C(O)=O)c12)-c1ccccc1
Show InChI InChI=1S/C27H21N3O3/c1-18-25-23(27(31)32)16-24(20-8-4-2-5-9-20)28-26(25)30(29-18)17-19-12-14-22(15-13-19)33-21-10-6-3-7-11-21/h2-16H,17H2,1H3,(H,31,32)
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1.53E+3 -33.2 7.97E+3n/an/an/an/a7.425



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Sensitive and quantitative FP-based binding assays were developed and optimized to determine the binding affinities of small-molecule inhibitors to t...


US Patent US9394303 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HCM
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM238183
PNG
(US9394303, 10)
Show SMILES Cc1nn(Cc2ccccc2Oc2ccccc2)c2nc(cc(C(O)=O)c12)-c1ccco1
Show InChI InChI=1S/C25H19N3O4/c1-16-23-19(25(29)30)14-20(22-12-7-13-31-22)26-24(23)28(27-16)15-17-8-5-6-11-21(17)32-18-9-3-2-4-10-18/h2-14H,15H2,1H3,(H,29,30)
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2.06E+3 -32.5 1.07E+4n/an/an/an/a7.425



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Sensitive and quantitative FP-based binding assays were developed and optimized to determine the binding affinities of small-molecule inhibitors to t...


US Patent US9394303 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HCM
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM238193
PNG
(US9394303, 55)
Show SMILES Cc1nn(Cc2ccc(Oc3ccccc3)cc2)c2nc(cc(C(O)=O)c12)-c1ccc(F)cc1
Show InChI InChI=1S/C27H20FN3O3/c1-17-25-23(27(32)33)15-24(19-9-11-20(28)12-10-19)29-26(25)31(30-17)16-18-7-13-22(14-8-18)34-21-5-3-2-4-6-21/h2-15H,16H2,1H3,(H,32,33)
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2.09E+3 -32.4 1.09E+4n/an/an/an/a7.425



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Sensitive and quantitative FP-based binding assays were developed and optimized to determine the binding affinities of small-molecule inhibitors to t...


US Patent US9394303 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HCM
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM238189
PNG
(US9394303, 15)
Show SMILES Cc1nn(Cc2ccc(Oc3ccccc3)cc2)c2nc(NCc3ccco3)cc(C(O)=O)c12
Show InChI InChI=1S/C26H22N4O4/c1-17-24-22(26(31)32)14-23(27-15-21-8-5-13-33-21)28-25(24)30(29-17)16-18-9-11-20(12-10-18)34-19-6-3-2-4-7-19/h2-14H,15-16H2,1H3,(H,27,28)(H,31,32)
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2.39E+3 -32.1 1.24E+4n/an/an/an/a7.425



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Sensitive and quantitative FP-based binding assays were developed and optimized to determine the binding affinities of small-molecule inhibitors to t...


US Patent US9394303 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HCM
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM50119
PNG
(1-(3-chlorophenyl)-6-(2-furanyl)-3-methyl-4-pyrazo...)
Show SMILES Cc1nn(-c2cccc(Cl)c2)c2nc(cc(C(O)=O)c12)-c1ccco1
Show InChI InChI=1S/C18H12ClN3O3/c1-10-16-13(18(23)24)9-14(15-6-3-7-25-15)20-17(16)22(21-10)12-5-2-4-11(19)8-12/h2-9H,1H3,(H,23,24)
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2.64E+3 -31.8 1.37E+4n/an/an/an/a7.425



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Sensitive and quantitative FP-based binding assays were developed and optimized to determine the binding affinities of small-molecule inhibitors to t...


US Patent US9394303 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HCM
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM238188
PNG
(US9394303, 14)
Show SMILES Cc1nn(Cc2ccc(Oc3ccccc3)cc2)c2nc(C)cc(C(O)=O)c12
Show InChI InChI=1S/C22H19N3O3/c1-14-12-19(22(26)27)20-15(2)24-25(21(20)23-14)13-16-8-10-18(11-9-16)28-17-6-4-3-5-7-17/h3-12H,13H2,1-2H3,(H,26,27)
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3.32E+3 -31.3 1.73E+4n/an/an/an/a7.425



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Sensitive and quantitative FP-based binding assays were developed and optimized to determine the binding affinities of small-molecule inhibitors to t...


US Patent US9394303 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HCM
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM238179
PNG
(US9394303, 6)
Show SMILES Cc1nn(Cc2ccccc2)c2nc(cc(C(O)=O)c12)-c1ccco1
Show InChI InChI=1S/C19H15N3O3/c1-12-17-14(19(23)24)10-15(16-8-5-9-25-16)20-18(17)22(21-12)11-13-6-3-2-4-7-13/h2-10H,11H2,1H3,(H,23,24)
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3.54E+3 -31.1 1.84E+4n/an/an/an/a7.425



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Sensitive and quantitative FP-based binding assays were developed and optimized to determine the binding affinities of small-molecule inhibitors to t...


US Patent US9394303 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HCM
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM96413
PNG
(6-(2-furanyl)-3-methyl-1-phenyl-4-pyrazolo[3,4-b]p...)
Show SMILES Cc1nn(-c2ccccc2)c2nc(cc(C(O)=O)c12)-c1ccco1
Show InChI InChI=1S/C18H13N3O3/c1-11-16-13(18(22)23)10-14(15-8-5-9-24-15)19-17(16)21(20-11)12-6-3-2-4-7-12/h2-10H,1H3,(H,22,23)
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4.25E+3 -30.7 2.21E+4n/an/an/an/a7.425



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Sensitive and quantitative FP-based binding assays were developed and optimized to determine the binding affinities of small-molecule inhibitors to t...


US Patent US9394303 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HCM
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM238177
PNG
(US9394303, 4)
Show SMILES Cc1nn(-c2ccccc2)c2nc(C)cc(C(O)=O)c12
Show InChI InChI=1S/C15H13N3O2/c1-9-8-12(15(19)20)13-10(2)17-18(14(13)16-9)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,19,20)
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1.46E+4 -27.6 7.57E+4n/an/an/an/a7.425



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Sensitive and quantitative FP-based binding assays were developed and optimized to determine the binding affinities of small-molecule inhibitors to t...


US Patent US9394303 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HCM
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM238178
PNG
(US9394303, 5)
Show SMILES Cc1nn(C)c2nc(C)cc(C(O)=O)c12
Show InChI InChI=1S/C10H11N3O2/c1-5-4-7(10(14)15)8-6(2)12-13(3)9(8)11-5/h4H,1-3H3,(H,14,15)
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>4.00E+4>-25.1>2.00E+5n/an/an/an/a7.425



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Sensitive and quantitative FP-based binding assays were developed and optimized to determine the binding affinities of small-molecule inhibitors to t...


US Patent US9394303 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HCM
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM238176
PNG
(US9394303, 3)
Show SMILES Cc1nn(C)c2nc(cc(C(O)=O)c12)-c1ccco1
Show InChI InChI=1S/C13H11N3O3/c1-7-11-8(13(17)18)6-9(10-4-3-5-19-10)14-12(11)16(2)15-7/h3-6H,1-2H3,(H,17,18)
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>4.00E+4>-25.1>2.00E+5n/an/an/an/a7.425



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Sensitive and quantitative FP-based binding assays were developed and optimized to determine the binding affinities of small-molecule inhibitors to t...


US Patent US9394303 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HCM
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM50357753
PNG
(CHEMBL1916191)
Show SMILES C[C@@H]1CN(CCN1Cc1ccccc1C(F)(F)F)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C38H43F3N6O5S2/c1-27-24-46(22-21-45(27)25-29-9-7-8-12-34(29)38(39,40)41)31-15-13-28(14-16-31)37(48)43-54(51,52)33-17-18-35(36(23-33)47(49)50)42-30(19-20-44(2)3)26-53-32-10-5-4-6-11-32/h4-18,23,27,30,42H,19-22,24-26H2,1-3H3,(H,43,48)/t27-,30-/m1/s1
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1.50E+3n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Displacement of BODIPY-Bak conjugated peptide from GST-tagged mouse wild type MCL1 expressed in Escherichia coli BL21 cells at 10 uM after 3 hrs by f...


Bioorg Med Chem Lett 21: 4951-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.134
BindingDB Entry DOI: 10.7270/Q2DB8287
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM50357756
PNG
(CHEMBL1916194)
Show SMILES CC(C)[C@@H]1CN(Cc2ccccc2C(F)(F)F)CCN1c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C40H47F3N6O5S2/c1-28(2)38-26-47(25-30-10-8-9-13-35(30)40(41,42)43)22-23-48(38)32-16-14-29(15-17-32)39(50)45-56(53,54)34-18-19-36(37(24-34)49(51)52)44-31(20-21-46(3)4)27-55-33-11-6-5-7-12-33/h5-19,24,28,31,38,44H,20-23,25-27H2,1-4H3,(H,45,50)/t31-,38+/m1/s1
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2.00E+3n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Displacement of BODIPY-Bak conjugated peptide from GST-tagged mouse wild type MCL1 expressed in Escherichia coli BL21 cells at 10 uM after 3 hrs by f...


Bioorg Med Chem Lett 21: 4951-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.134
BindingDB Entry DOI: 10.7270/Q2DB8287
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM50357755
PNG
(CHEMBL1916193)
Show SMILES CC(C)[C@H]1CN(Cc2ccccc2C(F)(F)F)CCN1c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C40H47F3N6O5S2/c1-28(2)38-26-47(25-30-10-8-9-13-35(30)40(41,42)43)22-23-48(38)32-16-14-29(15-17-32)39(50)45-56(53,54)34-18-19-36(37(24-34)49(51)52)44-31(20-21-46(3)4)27-55-33-11-6-5-7-12-33/h5-19,24,28,31,38,44H,20-23,25-27H2,1-4H3,(H,45,50)/t31-,38-/m1/s1
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2.00E+3n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Displacement of BODIPY-Bak conjugated peptide from GST-tagged mouse wild type MCL1 expressed in Escherichia coli BL21 cells at 10 uM after 3 hrs by f...


Bioorg Med Chem Lett 21: 4951-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.134
BindingDB Entry DOI: 10.7270/Q2DB8287
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM50357752
PNG
(CHEMBL1916190)
Show SMILES C[C@H]1CN(CCN1Cc1ccccc1C(F)(F)F)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C38H43F3N6O5S2/c1-27-24-46(22-21-45(27)25-29-9-7-8-12-34(29)38(39,40)41)31-15-13-28(14-16-31)37(48)43-54(51,52)33-17-18-35(36(23-33)47(49)50)42-30(19-20-44(2)3)26-53-32-10-5-4-6-11-32/h4-18,23,27,30,42H,19-22,24-26H2,1-3H3,(H,43,48)/t27-,30+/m0/s1
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2.00E+3n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Displacement of BODIPY-Bak conjugated peptide from GST-tagged mouse wild type MCL1 expressed in Escherichia coli BL21 cells at 10 uM after 3 hrs by f...


Bioorg Med Chem Lett 21: 4951-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.134
BindingDB Entry DOI: 10.7270/Q2DB8287
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM21434
PNG
(N-Benylpiperazine derivative, 23j | N-[(4-{[(2R)-4...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2C(F)(F)F)CC1
Show InChI InChI=1S/C37H41F3N6O5S2/c1-43(2)19-18-29(26-52-31-9-4-3-5-10-31)41-34-17-16-32(24-35(34)46(48)49)53(50,51)42-36(47)27-12-14-30(15-13-27)45-22-20-44(21-23-45)25-28-8-6-7-11-33(28)37(38,39)40/h3-17,24,29,41H,18-23,25-26H2,1-2H3,(H,42,47)/t29-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Displacement of BODIPY-Bak conjugated peptide from GST-tagged mouse wild type MCL1 expressed in Escherichia coli BL21 cells at 10 uM after 3 hrs by f...


Bioorg Med Chem Lett 21: 4951-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.134
BindingDB Entry DOI: 10.7270/Q2DB8287
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM50357754
PNG
(CHEMBL1916192)
Show SMILES CC1CN(CC(C)N1Cc1ccccc1C(F)(F)F)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C39H45F3N6O5S2/c1-27-23-46(24-28(2)47(27)25-30-10-8-9-13-35(30)39(40,41)42)32-16-14-29(15-17-32)38(49)44-55(52,53)34-18-19-36(37(22-34)48(50)51)43-31(20-21-45(3)4)26-54-33-11-6-5-7-12-33/h5-19,22,27-28,31,43H,20-21,23-26H2,1-4H3,(H,44,49)/t27?,28?,31-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Displacement of BODIPY-Bak conjugated peptide from GST-tagged mouse wild type MCL1 expressed in Escherichia coli BL21 cells at 10 uM after 3 hrs by f...


Bioorg Med Chem Lett 21: 4951-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.134
BindingDB Entry DOI: 10.7270/Q2DB8287
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM50318193
PNG
((Z)-3-(4-((7-(3-Methoxyphenyl)-9-oxo-5H-benzo[h]th...)
Show SMILES COc1cccc(c1)C1C2=C(N=c3s\c(=C/c4ccc(o4)-c4cccc(c4)C(O)=O)c(=O)n13)c1ccccc1CC2
Show InChI InChI=1S/C33H24N2O5S/c1-39-23-10-5-8-21(17-23)30-26-14-12-19-6-2-3-11-25(19)29(26)34-33-35(30)31(36)28(41-33)18-24-13-15-27(40-24)20-7-4-9-22(16-20)32(37)38/h2-11,13,15-18,30H,12,14H2,1H3,(H,37,38)/b28-18-
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n/an/a 3.44E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled BH3 peptide from GST-tagged mouse Mcl1 after 1 hr by fluorescence polarization assay


J Med Chem 53: 3465-79 (2010)


Article DOI: 10.1021/jm901004c
BindingDB Entry DOI: 10.7270/Q2QF8T11
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM21447
PNG
(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1
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n/an/an/a>1.00E+3n/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity for GST-tagged mouse MCL1 expressed in Escherichia coli BL21 cells


Bioorg Med Chem Lett 21: 4951-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.134
BindingDB Entry DOI: 10.7270/Q2DB8287
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM21400
PNG
(CHEMBL192571 | N-[(4-{[(2R)-4-(dimethylamino)-1-(p...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(C)(C)CC1
Show InChI InChI=1S/C32H41N5O5S2/c1-32(2)17-20-36(21-18-32)26-12-10-24(11-13-26)31(38)34-44(41,42)28-14-15-29(30(22-28)37(39)40)33-25(16-19-35(3)4)23-43-27-8-6-5-7-9-27/h5-15,22,25,33H,16-21,23H2,1-4H3,(H,34,38)/t25-/m1/s1
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n/an/an/a>1.00E+3n/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity for GST-tagged mouse MCL1 expressed in Escherichia coli BL21 cells


Bioorg Med Chem Lett 21: 4951-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.134
BindingDB Entry DOI: 10.7270/Q2DB8287
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM50318192
PNG
((Z)-3-(4-((7-(4-Methoxyphenyl)-9-oxo-5H-benzo[h]th...)
Show SMILES COc1ccc(cc1)C1C2=C(N=c3s\c(=C/c4ccc(o4)-c4cccc(c4)C(O)=O)c(=O)n13)c1ccccc1CC2
Show InChI InChI=1S/C33H24N2O5S/c1-39-23-12-9-20(10-13-23)30-26-15-11-19-5-2-3-8-25(19)29(26)34-33-35(30)31(36)28(41-33)18-24-14-16-27(40-24)21-6-4-7-22(17-21)32(37)38/h2-10,12-14,16-18,30H,11,15H2,1H3,(H,37,38)/b28-18-
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n/an/a 1.92E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled BH3 peptide from GST-tagged mouse Mcl1 after 1 hr by fluorescence polarization assay


J Med Chem 53: 3465-79 (2010)


Article DOI: 10.1021/jm901004c
BindingDB Entry DOI: 10.7270/Q2QF8T11
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM50318191
PNG
((Z)-3-(5-((7-(3-Fluorophenyl)-9-oxo-5H-benzo[h]thi...)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(\C=c2/sc3=NC4=C(CCc5ccccc45)C(c4cccc(F)c4)n3c2=O)o1
Show InChI InChI=1S/C32H21FN2O4S/c33-22-9-4-7-20(16-22)29-25-13-11-18-5-1-2-10-24(18)28(25)34-32-35(29)30(36)27(40-32)17-23-12-14-26(39-23)19-6-3-8-21(15-19)31(37)38/h1-10,12,14-17,29H,11,13H2,(H,37,38)/b27-17-
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n/an/a 1.86E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled BH3 peptide from GST-tagged mouse Mcl1 after 1 hr by fluorescence polarization assay


J Med Chem 53: 3465-79 (2010)


Article DOI: 10.1021/jm901004c
BindingDB Entry DOI: 10.7270/Q2QF8T11
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM50318189
PNG
((Z)-2-(3-((7-(2-Methoxyphenyl)-9-oxo-5H-benzo[h]th...)
Show SMILES COc1ccccc1C1C2=C(N=c3s\c(=C/c4cccc(OCC(O)=O)c4)c(=O)n13)c1ccccc1CC2
Show InChI InChI=1S/C30H24N2O5S/c1-36-24-12-5-4-11-22(24)28-23-14-13-19-8-2-3-10-21(19)27(23)31-30-32(28)29(35)25(38-30)16-18-7-6-9-20(15-18)37-17-26(33)34/h2-12,15-16,28H,13-14,17H2,1H3,(H,33,34)/b25-16-
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n/an/a 6.40E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled BH3 peptide from GST-tagged mouse Mcl1 after 1 hr by fluorescence polarization assay


J Med Chem 53: 3465-79 (2010)


Article DOI: 10.1021/jm901004c
BindingDB Entry DOI: 10.7270/Q2QF8T11
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM50262591
PNG
(CHEMBL459561 | [(2S,3R,4S)-4-Allyloxycarbonylamino...)
Show SMILES COCCOCOc1ccc2N([C@@H](CC(O)=O)[C@H](O)[C@@H](NC(=O)OCC=C)c2c1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C32H34N2O9/c1-3-15-42-32(39)33-29-25-18-24(43-20-41-17-16-40-2)13-14-26(25)34(27(30(29)37)19-28(35)36)31(38)23-11-9-22(10-12-23)21-7-5-4-6-8-21/h3-14,18,27,29-30,37H,1,15-17,19-20H2,2H3,(H,33,39)(H,35,36)/t27-,29-,30-/m0/s1
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n/an/an/a 3.00E+5n/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mouse Mcl-1 expressed in Escherichia coli BL21 cells


Bioorg Med Chem 16: 7443-9 (2008)


Article DOI: 10.1016/j.bmc.2008.06.023
BindingDB Entry DOI: 10.7270/Q29023K1
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM50262593
PNG
(2-((2S,3R,4S)-4-(2-naphthamido)-3-hydroxy-6-((2-me...)
Show SMILES COCCOCOc1ccc2N([C@@H](CC(O)=O)[C@H](O)[C@@H](NC(=O)c3ccc4ccccc4c3)c2c1)C(=O)OCC[Si](C)(C)C
Show InChI InChI=1S/C32H40N2O9Si/c1-40-13-14-41-20-43-24-11-12-26-25(18-24)29(33-31(38)23-10-9-21-7-5-6-8-22(21)17-23)30(37)27(19-28(35)36)34(26)32(39)42-15-16-44(2,3)4/h5-12,17-18,27,29-30,37H,13-16,19-20H2,1-4H3,(H,33,38)(H,35,36)/t27-,29-,30-/m0/s1
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n/an/an/a 2.00E+5n/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mouse Mcl-1 expressed in Escherichia coli BL21 cells


Bioorg Med Chem 16: 7443-9 (2008)


Article DOI: 10.1016/j.bmc.2008.06.023
BindingDB Entry DOI: 10.7270/Q29023K1
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM50262594
PNG
((2S,3R,4S)-4-[(Biphenyl-4-carbonyl)-amino]-2-carbo...)
Show SMILES COCCOCOc1ccc2N([C@@H](CC(O)=O)[C@H](O)[C@@H](NC(=O)c3ccc(cc3)-c3ccccc3)c2c1)C(=O)OCC[Si](C)(C)C
Show InChI InChI=1S/C34H42N2O9Si/c1-42-16-17-43-22-45-26-14-15-28-27(20-26)31(35-33(40)25-12-10-24(11-13-25)23-8-6-5-7-9-23)32(39)29(21-30(37)38)36(28)34(41)44-18-19-46(2,3)4/h5-15,20,29,31-32,39H,16-19,21-22H2,1-4H3,(H,35,40)(H,37,38)/t29-,31-,32-/m0/s1
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n/an/an/a 1.00E+5n/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mouse Mcl-1 expressed in Escherichia coli BL21 cells


Bioorg Med Chem 16: 7443-9 (2008)


Article DOI: 10.1016/j.bmc.2008.06.023
BindingDB Entry DOI: 10.7270/Q29023K1
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM50262596
PNG
(2-((2S,3R,4S)-4-(2-naphthamido)-1-(2-naphthoyl)-3-...)
Show SMILES COCCOCOc1ccc2N([C@@H](CC(O)=O)[C@H](O)[C@@H](NC(=O)c3ccc4ccccc4c3)c2c1)C(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C37H34N2O8/c1-45-16-17-46-22-47-29-14-15-31-30(20-29)34(38-36(43)27-12-10-23-6-2-4-8-25(23)18-27)35(42)32(21-33(40)41)39(31)37(44)28-13-11-24-7-3-5-9-26(24)19-28/h2-15,18-20,32,34-35,42H,16-17,21-22H2,1H3,(H,38,43)(H,40,41)/t32-,34-,35-/m0/s1
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n/an/an/a 3.00E+5n/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mouse Mcl-1 expressed in Escherichia coli BL21 cells


Bioorg Med Chem 16: 7443-9 (2008)


Article DOI: 10.1016/j.bmc.2008.06.023
BindingDB Entry DOI: 10.7270/Q29023K1
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM50262597
PNG
(CHEMBL453437 | [(2S,3R,4S)-1-(Biphenyl-4-carbonyl)...)
Show SMILES COCCOCOc1ccc2N([C@@H](CC(O)=O)[C@H](O)[C@@H](NC(=O)c3ccc(cc3)-c3ccccc3)c2c1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C41H38N2O8/c1-49-22-23-50-26-51-33-20-21-35-34(24-33)38(42-40(47)31-16-12-29(13-17-31)27-8-4-2-5-9-27)39(46)36(25-37(44)45)43(35)41(48)32-18-14-30(15-19-32)28-10-6-3-7-11-28/h2-21,24,36,38-39,46H,22-23,25-26H2,1H3,(H,42,47)(H,44,45)/t36-,38-,39-/m0/s1
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n/an/an/a 2.50E+4n/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mouse Mcl-1 expressed in Escherichia coli BL21 cells


Bioorg Med Chem 16: 7443-9 (2008)


Article DOI: 10.1016/j.bmc.2008.06.023
BindingDB Entry DOI: 10.7270/Q29023K1
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM50262590
PNG
(2-((2S,3R,4S)-1-(2-naphthoyl)-4-(allyloxycarbonyl)...)
Show SMILES COCCOCOc1ccc2N([C@@H](CC(O)=O)[C@H](O)[C@@H](NC(=O)OCC=C)c2c1)C(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C30H32N2O9/c1-3-12-40-30(37)31-27-23-16-22(41-18-39-14-13-38-2)10-11-24(23)32(25(28(27)35)17-26(33)34)29(36)21-9-8-19-6-4-5-7-20(19)15-21/h3-11,15-16,25,27-28,35H,1,12-14,17-18H2,2H3,(H,31,37)(H,33,34)/t25-,27-,28-/m0/s1
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n/an/an/a 5.00E+5n/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mouse Mcl-1 expressed in Escherichia coli BL21 cells


Bioorg Med Chem 16: 7443-9 (2008)


Article DOI: 10.1016/j.bmc.2008.06.023
BindingDB Entry DOI: 10.7270/Q29023K1
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM50318190
PNG
((Z)-3-((2-Methoxy-4-((7-(4-methoxyphenyl)-9-oxo-5H...)
Show SMILES COc1ccc(cc1)C1C2=C(N=c3s\c(=C/c4ccc(OCc5cccc(c5)C(O)=O)c(OC)c4)c(=O)n13)c1ccccc1CC2
Show InChI InChI=1S/C37H30N2O6S/c1-43-27-14-11-25(12-15-27)34-29-16-13-24-7-3-4-9-28(24)33(29)38-37-39(34)35(40)32(46-37)20-22-10-17-30(31(19-22)44-2)45-21-23-6-5-8-26(18-23)36(41)42/h3-12,14-15,17-20,34H,13,16,21H2,1-2H3,(H,41,42)/b32-20-
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n/an/a 8.60E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled BH3 peptide from GST-tagged mouse Mcl1 after 1 hr by fluorescence polarization assay


J Med Chem 53: 3465-79 (2010)


Article DOI: 10.1021/jm901004c
BindingDB Entry DOI: 10.7270/Q2QF8T11
More data for this
Ligand-Target Pair